Li+粘贴CHnCl3-nO2和CFnCl3-nO2( n = 1~3 )自由基：Li+–CHnCl3-nO2和 Li+–CFnCl3-nO2的结构与性质的研究

The structures and stabilities of these still experimentally unknown CH_nCl_(3-n)O_(2-)Li~ and CF_nCl_(3-n)O_(2-)Li~ ionshave been theoretically investigated by ab initio molecular orbital theory and density functional theory(DFT)inconjunction with the 6-311G(d,p),6-311 G(d,p),6-311 G(2d,p)and 6-311 G(2df,2p)basis sets.The optimizedgeometries,chemical bonding and NBO analysis indicate that these complexes of CH_nCl_(3-n)O_(2-)Li~ and CF_nCl_(3-n)O_(2-)Li~ exist as ion-dipole molecules.The calculated affinity energies of these species exceed 41.9 kJ/mol,which arelarge enough to suggest the possibility that these title complexes could be detected as stable species in gas phase byLi~ ion attachment mass spectrometry.     

模板剂与ＭＣＭ-22分子筛匹配作用的分子模拟计算

本文用Ｍｏｎｔｅ Ｃａｒｌｏ方法和分子力学方法研究了模板剂分子六次甲基亚胺(ＨＭＩ)在ＭＣＭ-22分子筛孔道中的排布与取向。模拟结果表明模板剂分子能够稳定地嵌入在ＭＣＭ-22分子筛的超笼、窗口和正弦孔道中。对这三种位置上模板剂与分子筛骨架之间的主客体非键相互作用能(包括范德华能和库仑能)进行了计算,结果表明模板剂分子与分子筛的骨架之间作用力主要以范德华吸引力为主。本文还进一步讨论了模板剂分子的结构导向作用和对骨架Ａｌ的靶向作用。     

Fe(110)面上CO化学吸附状态的吸附历史依赖关系

Fe(110)面上直接在室温时吸附的CO同先在170 K吸附然后升温到室温的CO吸附有所不同. 前者有解离而后者无解离; 另外, 前者的饱和吸附量比后者低. 这可以用前者发生了解离来解释. 根据以上结果, 提出了以下的设想, Fe(110)面上的CO解离除了需要足够的热能而外, 还需要在表面的吸附位上有邻近的其它未被覆盖Fe原子的存在, 即需要一定的表面结构.     

Preparation of AgBiVMoO/-Al2O3 Catalysts for the Partial Oxidation of Propane

A novel mixed sol method was developed for the preparation of supported catalysts. Analyses by means of XRD and BET show that a 40%AgBiVMoO/γ-Al2O3 catalyst prepared by this method possessed high specific surface area and high dispersion of the active phase. As a result, high acrylic acid selectivity of 8.5% was obtained when the catalyst was used in the reaction of propane partial oxidation to acrylic acid in a fixed-bed reactor.     

Pt对Mo基催化剂还原-硫化过程的影响

采用脉冲硫化、连续硫化、程序升温还原、程序升温及程序降温电导及X射线衍射等方法研究了贵金属Pt对MoO3催化剂还原-流化过程的影响及Pt对MOS2配位不饱和活性中心形成的影响．结果表明，Pt担载或在MoO3上可以促进MoO3的还原-硫化，使MoO3的还原-硫化温度大大降低Pt担载在MoSw上可促进MoS2的部分还原形成配位不饱和的钼中心     

Analysis of 17β-Estadiol from Sewage in Coastal Marine by Surface Plasmon Resonance Technique

In this study, surface plasmon resonance （SPR） for monitoring 17β-eatradiol （E2） was developed. The small molecule E2 was immobilized on a CM5 sensor chip for an indirect competitive immunoassay to detect E2. The SPR response bahed on the antigen-antibody reaction was measured by injecting the sample solution into the flow system. The limitation of detection was 0.445 μg/L. The developed SPE-SPR system was applied to analyze the seawater samples. Recovery of E2 was 91.6%-93. 1%. Relative standard deviations（RSD） for the E2 assay were between 10.9%-15.1% （n = 3）. The range of determination of E2 samples from the sewage in the coastal marine environ-ment was between ND（lower than detection limit） and ca. 11.78 ng/L.     

聚合物-金属纳米复合材料的制备与应用

综述了聚合物-金属纳米复合材料的制备方法，包括原位形成法、沉积法、离子注入法、辐射化学法、光照化学法、直接分散法、球磨法；介绍了聚合物．金属纳米复合材料的应用领域，最后展望了这种材料的发展前景。     

Review of Directly Producing Light olefins via CO Hydrogenation

Directly making light olefins via CO hydrogenation is a promising process to obtain a nonpetroleum based supply of alkenes.Limited by the ASF distribution function of Fischer-Tropsch synthesis,the yield of light olefins (C2-C4) can not reach the desired levels,which is a great challenge to overcome.Beginning thermodynamic analysis,the ASF distribution function,the reaction performance of CO hydrogenation and slurry reactor studies.The problems currently faced by this research area are presented at the end of the article.     

克拉霉素漂浮-生物粘附微囊的制备及性能研究

选用乳化-溶剂挥发法制备乙基纤维素载药微球(EMs), 并通过内部凝胶化法进行包衣制得海藻酸钠-乙基纤维素载药微囊(AEMs), 最后通过离子交联法进一步包衣制得壳聚糖-海藻酸钠-乙基纤维素载药微囊(CAEMs). 研究克拉霉素漂浮\|生物粘附微囊的制备工艺, 并考察微囊的体外漂浮性能、 粘附性能及体内滞留性能. 结果表明, CAEMs球形度较好, 药物包封率为72.3%~78.2%, 载药量为7.1%~12.7%. 在pH=5的醋酸缓冲液中, 6 h时的累积释放率为56.6%~70.6%, 漂浮率大于70%, 4 h时的体内滞留率为60.5%. CAEMs有望通过延长药物胃内滞留时间, 在临床用于根除幽门螺旋杆菌, 从而降低消化道溃疡的复发率.     

二茂铁咪唑盐的合成及其在Suzuki-Miyaura反应中的应用

合成了硫醚官能化、膦官能化及未官能化的二茂铁咪唑盐,并研究了以其作为N-杂环卡宾配体前体对Pd催化的Suzuki-Miyaura偶联反应的影响,发现在4-甲基溴苯与苯硼酸偶联反应中以膦官能化的配体对催化性能提高有利,而硫醚官能化不利于催化性能提高。